ethyl 3-pent-4-enoxypropanoate

C10H18O3 — CID 79113239

IUPACethyl 3-pent-4-enoxypropanoate
SMILESC=CCCCOCCC(=O)OCC
InChIInChI=1S/C10H18O3/c1-3-5-6-8-12-9-7-10(11)13-4-2/h3H,1,4-9H2,2H3
InChIKeyYKSXTAMHPKMCMP-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds8

About ethyl 3-pent-4-enoxypropanoate

ethyl 3-pent-4-enoxypropanoate (PubChem CID 79113239) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 3-pent-4-enoxypropanoate.

Molecular Properties

Compound Nameethyl 3-pent-4-enoxypropanoate
PubChem CID79113239
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 3-pent-4-enoxypropanoate
SMILESC=CCCCOCCC(=O)OCC
InChIInChI=1S/C10H18O3/c1-3-5-6-8-12-9-7-10(11)13-4-2/h3H,1,4-9H2,2H3
InChIKeyYKSXTAMHPKMCMP-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-but-3-enoxypropanoate
CID 43174166
1-O-ethyl 5-O-pent-4-enyl pentanedioate
CID 91718034
ethyl hept-6-enoate
CID 560341
ethyl 2-hept-6-enoxyacetate
CID 131980625
ethyl pent-4-enoate;dihydrochloride
CID 175912482
3-pent-4-enoxypropanoic acid
CID 10034873
5-O-pent-4-enyl 1-O-propyl pentanedioate
CID 91706414
ethyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;ethyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methane
CID 161148650
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
pent-4-enyl pent-4-enoate
CID 86018729
ethyl 6-(2-but-3-enoxyethylamino)hexanoate
CID 106401753

Frequently Asked Questions

What is the IUPAC name of ethyl 3-pent-4-enoxypropanoate?
The IUPAC name of ethyl 3-pent-4-enoxypropanoate (CID 79113239) is ethyl 3-pent-4-enoxypropanoate.
What is the SMILES notation for ethyl 3-pent-4-enoxypropanoate?
The canonical SMILES for ethyl 3-pent-4-enoxypropanoate is C=CCCCOCCC(=O)OCC.
What is the InChIKey of ethyl 3-pent-4-enoxypropanoate?
The InChIKey is YKSXTAMHPKMCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-6-8-12-9-7-10(11)13-4-2/h3H,1,4-9H2,2H3.
What are the key properties of ethyl 3-pent-4-enoxypropanoate?
ethyl 3-pent-4-enoxypropanoate has a molecular weight of 186.25 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pent-4-enoxypropanoate is sourced from PubChem (CID 79113239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).